N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide

C12H9ClN2O4S — CID 4594147

IUPACN-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN2O4S/c1-19-10-4-5-20-11(10)12(16)14-8-3-2-7(13)6-9(8)15(17)18/h2-6H,1H3,(H,14,16)
InChIKeyZRVLPYBSXBUODA-UHFFFAOYSA-N
MW312.73 g/mol
LogP3.57
Rot. Bonds4

About N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide

N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide (PubChem CID 4594147) has the molecular formula C12H9ClN2O4S and a molecular weight of 312.73 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
PubChem CID4594147
Molecular FormulaC12H9ClN2O4S
Molecular Weight312.73 g/mol
Exact Mass312.00
IUPAC NameN-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C12H9ClN2O4S/c1-19-10-4-5-20-11(10)12(16)14-8-3-2-7(13)6-9(8)15(17)18/h2-6H,1H3,(H,14,16)
InChIKeyZRVLPYBSXBUODA-UHFFFAOYSA-N
XLogP3.57
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.73
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methoxythiophene-2-carboxamide
CID 81270159
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257773
N-(4-chloro-2-nitrophenyl)-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84550498
3-chloro-4-[(3-methoxythiophene-2-carbonyl)amino]benzoic acid
CID 81126917
4-chloro-N-(2-methoxyphenyl)-2-nitrobenzamide
CID 789181
N-(4-chloro-2-nitrophenyl)-2-methoxy-2-methylpropanamide
CID 103028854
4-chloro-N-(4,5-dimethoxy-2-methylphenyl)-2-nitrobenzamide
CID 26877061
N-(2,4-dichlorophenyl)-4-methoxy-3-nitrobenzamide
CID 711542
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methoxybenzamide
CID 2933842
methyl N-[(4-chloro-2-nitrophenyl)carbamothioyl]carbamate
CID 163863319

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide (CID 4594147) is N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide is COc1ccsc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide?
The InChIKey is ZRVLPYBSXBUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O4S/c1-19-10-4-5-20-11(10)12(16)14-8-3-2-7(13)6-9(8)15(17)18/h2-6H,1H3,(H,14,16).
What are the key properties of N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide?
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide has a molecular weight of 312.73 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 4594147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).